1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-methyl-3-pyridinyl)methyl)-, carbamate (ester)
Basic information
- CAS
178980-27-3- Standard SMILES
Cc1ncccc1Cn1c(COC(N)=O)nc(C(C)C)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
DDYKXRIDIMRLPA-UHFFFAOYSA-N- Molecular formula
- C21H22Cl2N4O2S
- Average molar mass
- 465.4 g/mol
- Monoisotopic mass
- 464.0840525
Names & identifiers
- Preferred name
- 1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-methyl-3-pyridinyl)methyl)-, carbamate (ester)
- IUPAC
- [5-(3,5-dichlorophenyl)sulfanyl-1-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylimidazol-2-yl]methyl carbamate
Names & synonyms
178980-27-3(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-((2-methylpyridin-3-yl)methyl)-1H-imidazol-2-yl)methyl carbamate1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-methyl-3-pyridinyl)methyl)-, carbamate (ester)1H-Imidazole-2-methanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-[(2-methyl-3-pyridinyl)methyl]-, carbamate (ester)SCHEMBL6965901DTXSID40170716DDYKXRIDIMRLPA-UHFFFAOYSA-N[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-[(2-methyl-3-pyridyl)methyl]imidazol-2-yl]methyl carbamate{5-[(3,5-Dichlorophenyl)sulfanyl]-1-[(2-methylpyridin-3-yl)methyl]-4-(propan-2-yl)-1H-imidazol-2-yl}methyl carbamate2-carbamoyloxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(2-methylpyridin-3-ylmethyl)-1H-imidazole
Database identifiers
- CAS
178980-27-3- PubChem CID
- 474063
- DTXSID
DTXSID40170716
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 563
Related reactions
2 records
Compound notes
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